Geometry & MOs

Info

ID:	38491
PubChem CID:	8136899
Reduced:	ClN3O5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-20.06
Dipole, Da:	4.39
IP(EA), eV:	-9.75(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations